HRID700454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID13838

Hexamethyldisilazane

C6H19NSi2

结构：CC(C)(C)OC(=O)Nc1cccc(Cn2ccc(NC(=O)C(CC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)n2)c1

HCID67190450

未命名化合物

结构：CC(C(O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1

HCID67484345

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C(O)c1ccccc1)N(C)C(=O)C(CC1CCCC1)c1ccc(SC2CC2)cc1

HCID178458328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-685088d155c247fc8b3ba78056bc0577
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:40]([O:41][C:42](=[O:43])[NH:44][c:45]1[cH:46][cH:47][cH:48][c:49]([CH2:50][n:51]2[cH:52][cH:53][c:54]([NH:55][C:56](=[O:57])[CH:58]([c:59]3[cH:60][cH:61][c:68]([S:69]([CH3:70])(=[O:71])=[O:72])[c:73]([Cl:74])[cH:75]3)[CH2:62][CH:63]3[CH2:64][CH2:65][CH2:66][CH2:67]3)[n:76]2)[cH:77]1)([CH3:78])([CH3:79])[CH3:80].[CH2:10]([Li:11])[CH2:12][CH2:13][CH3:14].[CH3:1][Si:2]([CH3:3])([CH3:4])[NH:5][Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:15]1([S:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][C:26](=[O:27])[N:28]([CH3:29])[CH:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[OH:38])[CH3:39])[cH:23][cH:24]2)[CH2:16][CH2:17]1.[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1>>[CH:15]1([S:18][c:19]2[cH:20][cH:21][c:22]([CH:25]([C:26](=[O:27])[N:28]([CH3:29])[CH:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[OH:38])[CH3:39])[CH2:62][CH:63]3[CH2:64][CH2:65][CH2:66][CH2:67]3)[cH:23][cH:24]2)[CH2:16][CH2:17]1